1-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]cyclohexane-1-carboxamide

C17H25N3O4S — CID 119331491

IUPAC1-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(N)CCCCC2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C17H25N3O4S/c1-24-14-8-7-13(11-15(14)25(22,23)20-12-5-6-12)19-16(21)17(18)9-3-2-4-10-17/h7-8,11-12,20H,2-6,9-10,18H2,1H3,(H,19,21)
InChIKeySCILLOWOVDYLSL-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.74
Rot. Bonds6

About 1-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]cyclohexane-1-carboxamide

1-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]cyclohexane-1-carboxamide (PubChem CID 119331491) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]cyclohexane-1-carboxamide
PubChem CID119331491
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name1-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(N)CCCCC2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C17H25N3O4S/c1-24-14-8-7-13(11-15(14)25(22,23)20-12-5-6-12)19-16(21)17(18)9-3-2-4-10-17/h7-8,11-12,20H,2-6,9-10,18H2,1H3,(H,19,21)
InChIKeySCILLOWOVDYLSL-UHFFFAOYSA-N
XLogP1.74
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]cyclopropane-1-carboxamide
CID 119797467
1-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119331454
1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide
CID 119277803
1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119277802
1-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119797364
2-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-methylpropanamide;hydrochloride
CID 119331466
1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119263106
1-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119264839
4-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]butanamide
CID 119331495
1-[[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122085287
4-[(1-aminocyclopentanecarbonyl)amino]-2-methoxybenzoic acid
CID 107208023
(2S)-2-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119331476

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]cyclohexane-1-carboxamide (CID 119331491) is 1-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]cyclohexane-1-carboxamide is COc1ccc(NC(=O)C2(N)CCCCC2)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of 1-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]cyclohexane-1-carboxamide?
The InChIKey is SCILLOWOVDYLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-24-14-8-7-13(11-15(14)25(22,23)20-12-5-6-12)19-16(21)17(18)9-3-2-4-10-17/h7-8,11-12,20H,2-6,9-10,18H2,1H3,(H,19,21).
What are the key properties of 1-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]cyclohexane-1-carboxamide?
1-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]cyclohexane-1-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119331491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).